屈洛昔芬
TL;DR: 屈洛昔芬 (CAS 82413-20-5) is a chemical compound with molecular formula C26H29NO2 and molecular weight 387.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
屈洛昔芬
3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
Also Known As: Droloxifene, Droloxifeno, Droloxifenum, E-Droloxifene, Droloxifenum [Latin]
| Molecular Formula | C26H29NO2 |
|---|---|
| Molecular Weight | 387.22 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 387.21982 |
| Heavy Atoms | 29 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 82413-20-5 |
|---|---|
| SMILES | CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC(=CC=C2)O)C3=CC=CC=C3 |
| InChIKey | ZQZFYGIXNQKOAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
屈洛昔芬 (CAS 82413-20-5), with molecular formula C26H29NO2 and molecular weight 387.22 g/mol. IUPAC: 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol.
Chemical Property Profile of 屈洛昔芬
Property Insights of 屈洛昔芬
The XLogP value of 6.8 indicates that 屈洛昔芬 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 屈洛昔芬 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 屈洛昔芬 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 屈洛昔芬?
The CAS number of 屈洛昔芬 is 82413-20-5.
What is the molecular formula of 屈洛昔芬?
The molecular formula of 屈洛昔芬 is C26H29NO2.
What is the molecular weight of 屈洛昔芬?
The molecular weight of 屈洛昔芬 is 387.22 g/mol.
Where can I buy 屈洛昔芬?
You can request a quote for 屈洛昔芬 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 屈洛昔芬?
Yes, KEHONG BIO provides custom synthesis services for 屈洛昔芬 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.